%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2017.08.13 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%% mcf2graph.mf it must be version 4.26 or later \documentclass{article} %------------------------------------------------------------------------------ \usepackage{luamplib}% \usepackage[T1]{fontenc}% \usepackage{textcomp}% \mplibcodeinherit{enable}% \mplibverbatim{enable}% \everymplib{if unknown Ph1: input mcf2graph.mf; sw_auxout:=1; sw_label_emu:=1; sw_font_frame:=4; max_bond_length:=4.5mm; defaultfont:="uhvr8r"; defaultsize:=8bp; defaultscale:=0.7; fi}% %------------------------------------------------------------------------------ \pagestyle{empty} \topmargin=-20mm \oddsidemargin=0mm \textwidth=170mm \textheight=280mm \unitlength=1mm %------------------------------------------------------------------------------------ \begin{document} \begin{center} {\Huge\sf MCF example for luamplib(Lua\LaTeX)}\vspace{5mm}\\ Author : Akira Yamaji \quad Date : \today\\ Located at : http://www.ctan.org/pkg/mcf2graph\vspace{2mm}\\ \end{center} \noindent% %------------------------------------------------------------------------------------ {{\small {\tt FM(C) :} molecular formula calculated by mcf2graph}\\ {{\small {\tt MW(C) :} molecular weight calculated by mcf2graph}\\ {{\small {\tt MW(D) :} molecular weight from literature data}\vspace{5mm}\\ \begin{mplibcode} font_wd:=80mm; font_ht:=40mm; beginfont("NO:1","EN:Chlorophyll a","MW:893.49") MCa(1,0.5)(<54, |<,``1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N, -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,, -1:@,24,/*COO!^15,72,//O,,>|, 4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb, {2,9,15,20~zf}:/_,8:/!,14:\,!!, 21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_, ) EXT( label.lrt("("&inf_EN&")",(0,h)); label.lrt("FM(C): "&cal_FM,(0,h-4mm)); label.lrt("FM(C): "&cal_MW,(0,h-8mm)); label.lrt("FM(D): "&inf_MW,(0,h-12mm)); ) endfont \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} |<,``1,?5,{2,5}=dl,4:N,3:\,54~dl, |,?5,{2,4}=dl,5:N, -2:\,54~dl,|,?5,2=dl,5:N, -2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,, -1:@,24,/*COO!^15,72,//O,,>|, 4:\`1.45,Mg,&17,-1:@,&11~vb,-1:@,&23~vb, {2,9,15,20~zf}:/_,8:/!,14:\,!!, 21:@,-6~wf,!2,//O,!,O,!2,!!, |,!13,{1,5,9,13}:/_, \end{verbatim} \end{minipage} \vspace{0mm}\\ %---------------------------------------------------------------------------- \begin{mplibcode} font_wd:=80mm; font_ht:=30mm; beginfont("NO:2","EN:Limonin","MW:470.51") MCa(.6,0.5)(<30, ?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf, {13,15,17,20}:O,{3,12,21}://O, {4~wf^60,8~zf^60,18^35,18^-35}:/_,{1^60,5^180,16^60}:/*H, 14:\*,|,?5,{1,4}=dl,3:O ) EXT( label.lrt("("&inf_EN&")",(0,h)); label.lrt("FM(C): "&cal_FM,(0,h-4mm)); label.lrt("FM(C): "&cal_MW,(0,h-8mm)); label.lrt("FM(D): "&inf_MW,(0,h-12mm)); ) endfont \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} <30,?6,{-3,-4}=?6,-5=?3, -2=wf,-1=wb,6=?5,-4=?6,-5=wf, {13,15,17,20}:O,{3,12,21}://O, {4~wf^60,8~zf^60,18^35,18^-35}:/_, {1^60,5^180,16^60}:/*H, 14:\*,|,?5,{1,4}=dl,3:O \end{verbatim} \end{minipage} \vspace{5mm}\\% %---------------------------------------------------------------------------- \begin{mplibcode} font_wd:=80mm; font_ht:=20mm; beginfont("NO:4","EN:Gibberellin A3","MW:346.37"); MCa(.6,0.5)( <18,?5,3=?7,5=?6[12],8:@,160`1.3,&3,13=dl,6=wf,8=wb, 5:@,40~zf`1,O,60,//O^180,&14~zb, 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1^60,4^60}:*/H) EXT( label.lrt("("&inf_EN&")",(0,h)); label.lrt("FM(C): "&cal_FM,(0,h-4mm)); label.lrt("FM(C): "&cal_MW,(0,h-8mm)); label.lrt("FM(D): "&inf_MW,(0,h-12mm)); ) endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} <18,?5,3=?7,5=?6[12],8:@,160`1.3,&3, 13=dl,6=wf,8=wb, 5:@,40~zf`1,O,60,//O^180,&14~zb, 2:/COOH,7://_,13:*/OH,8:/*OH, 14:*/_,{1^60,4^60}:*/H) \end{verbatim} \end{minipage} \vspace{6mm}\\ %---------------------------------------------------------------------------- \begin{mplibcode} font_wd:=80mm; font_ht:=35mm; beginfont("NO:5","EN:Erythromycin","MW:733.93"); MCa(.6,0.5)( <30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1, 14:O,13:/*Et,{1,9}://O,{2,10}:*/_,{4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, #3:\*,O,30,|,?6`.7,2:O,{3,5^35}:/_,4:/OH,5^-35:/O!, #5:\*^30`1.7,O,!,|,?6`.7,6:O,5:/_,2:/OH,3:/NMeMe ) EXT( label.lrt("("&inf_EN&")",(0,h)); label.lrt("FM(C): "&cal_FM,(0,h-4mm)); label.lrt("FM(C): "&cal_MW,(0,h-8mm)); label.lrt("FM(D): "&inf_MW,(0,h-12mm)); ) endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} <30,|<,``1,<-120,60,60,60,-60,60, 60,-60,60,60,60,-60,60,60,>|,&1, 14:O,13:/*Et,{1,9}://O,{2,10}:*/_, {4,6^-35,8,12^35}:/*_, {6^35,11,12^-35}:*/OH, #3:\*,O,30,|,?6`.7,2:O, {3,5^35}:/_,4:/OH,5^-35:/O!, #5:\*^30`1.7,O,!,|,?6`.7,6:O, 5:/_,2:/OH,3:/NMeMe \end{verbatim} \end{minipage} \vspace{5mm}\\ %---------------------------------------------------------------------------- \begin{mplibcode} font_wd:=80mm; font_ht:=65mm; beginfont("NO:6","EN:Vancomycin","MW:1449.25"); MCa(0.5,0)( <30, |<,``1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60, Ph,-4:/Cl,-3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl,-3:\,/*OH,*/H^-60,, #7:@,,#1:@,120,//O,60,NH,60,/*H,*/COOH^180,-60, Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,,>|, {3^40,6,9,12}://O,{2,5,8,11}:NH, {1^180,4^180}:*/H,{7^-60,10^60,14^60}:/*H, #10:*\^-60,60,//O,!,NH2, #13:*\,NH,!,//O,!,/!iPr^-35>60,*/H^60,!~zf,NH,!, #23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH, -1:\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH ) EXT( label.lrt("("&inf_EN&")",(0,h)); label.lrt("FM(C): "&cal_FM,(0,h-4mm)); label.lrt("FM(C): "&cal_MW,(0,h-8mm)); label.lrt("FM(D): "&inf_MW,(0,h-12mm)); ) endfont; \end{mplibcode} \begin{minipage}[b]{85mm} \begin{verbatim} <30,|<,``1,!12,{1,3,12}=zf,7=wf, /H^-60,60,*/OH,60,Ph,-4:/Cl, -3:\,O,!,Ph,-4:\,O,!,Ph,-1^15:/Cl, -3:\,/*OH,*/H^-60,, #7:@,,#1:@,120,//O,60,NH,60, /*H,*/COOH^180,-60, Ph,{-2,-4}:/OH,-1:\,Ph,-5:/OH,-2:@,,>|, {3^40,6,9,12}://O,{2,5,8,11}:NH, {1^180,4^180}:*/H, {7^-60,10^60,14^60}:/*H, #10:*\^-60,60,//O,!,NH2,#13:*\,NH,!,//O,!, /!iPr^-35>60,*/H^60 ,!~zf,NH,!, #23:\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH, -1:\,O,!,|,?6`.7,6:O, {3^35,5}:/_,3^-35:/NH2,4:/OH \end{verbatim} \end{minipage} \vspace{0mm}\\% %---------------------------------------------------------------------------- \begin{mplibcode} font_wd:=170mm; font_ht:=80mm; beginfont("NO:7","EN:Maitotoxin","MW:3425.86") MCf( <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,-3:\,!3,?6,{-4,-3,-3,-3}=?6, -3:\,?6,-3=?6,-3:\,!3,60,<-30,?6,-3=?6, -3:@,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6, -2:\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6, {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99, 100,107,113,114,122,123,130,131,140,141,148,149}:O, {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH, {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60, {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60, {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60, {6,46,50,53,60,67,74}:*/H^-60, {9,18,85,93,112,139,143,147}:*/_`1^60, {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60, #6:\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_, 6:\,O,30,SOO,30,"O{Na}", #36:@,-45~zf,O,30,SOO,30,"O{Na}", #150:\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl ) EXT( label.lrt("("&inf_EN&")",(0,.8h)); label.lrt("FM(C): "&cal_FM,(0,.8h-4mm)); label.lrt("FM(C): "&cal_MW,(0,.8h-8mm)); label.lrt("FM(D): "&inf_MW,(0,.8h-12mm)); ) endfont \end{mplibcode} \begin{verbatim} <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,-3:\,!3,?6,{-4,-3,-3,-3}=?6, -3:\,?6,-3=?6,-3:\,!3,60,<-30,?6,-3=?6, -3:@,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6, -2:\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6, {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99, 100,107,113,114,122,123,130,131,140,141,148,149}:O, {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH, {11,20,35,45,52,55,65,69,86}:/*OH,{47,57,71}:/*H^60, {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60, {4,14,22,34,39,43,81,89,98,102,116,121,125,129,133}:*/H^60, {6,46,50,53,60,67,74}:*/H^-60,{9,18,85,93,112,139,143,147}:*/_`1^60, {80,88,97,115,120,124}:/*_`1^-60,108:*/_`1^-60, #6:\,|,!11,60~dr,-60,60,OH,2:/*OH,{7,10}:*/OH,{1,3}:*/_,{8~zf,11~dm,12}:/_, 6:\,O,30,SOO,30,"O{Na}", #36:@,-45~zf,O,30,SOO,30,"O{Na}",#150:\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl \end{verbatim} \vspace{8mm}% %---------------------------------------------------------------------------- {\LARGE\bf TCA-cycle}\\ \begin{mplibcode} beginfont("EN:TCA cycle") save a; %------------------------------------------------------------------------ font_wd:=100mm; font_ht:=100mm; max_bond_length:=5mm; %------------------------------------------------------------------------ sw_label_emu:=1; defaultscale:=0.75; %------------------------------------------------------------------------ a:=12mm; Om:='("{O^-^}"); MCa(0.5,1)(<30,Om,!0,//O,!,//O,!2,//O,!,Om) MCa(1, 1)(<30,Om,!0,//O,!,!,!,!,//O,!,Om,-4`1:\,//O,!,Om,4:/OH^-165) MCa(1,.66)(<30,Om,!0,//O,!,!,!~dr,!,//O,!,Om,-4`1:\,//O,!,Om) MCa(1,.35)(<30,Om,!0,//O,!,!,!,!,//O,!,Om,-4:\`1,//O,!,Om) MCa(1, 0)(<30,Om,!0,//O,!,!,!,//O,!,//O,!,Om,-4:\`1,//O,!,Om) MCa(0.5,0)(<30,Om,!0,//O,!,!,!,//O,!,//O,!,Om) MCa(0, 0)(<30,Om,!0,//O,!,!,!,//O,!,"{S-CoA}") MCa(0,0.4)(<30,Om,!0,//O,!,!,!,//O,!,Om) MCa(0,0.7)(<30,Om,!0,//O,!,!~dr,!,//O,!,Om) MCa(0, 1)(<30,Om,!0,//O,!,!,!,//O,!,Om,3:/OH) %------------------------------------------------------------------------ EXT( p10:=(.58w,.9h); drawarrow p10..p10+(a,0); drawarrow p10+(.2a,-.8a){dir90}..{dir 0}(p10+(.5a,0)){dir0}..{dir-90}p10+(.8a,-.5a); label.bot("Acetyl-CoA",p10+(.2a,-.8a)); label.bot("CoA-SH",p10+(.8a,-.5a)+(em,0)); p10:=(.9w,.83h); drawdblarrow p10..p10+(0,-a); draw p10+(0,-0.5a){dir -90}..{dir 180}p10+(-0.5a,-.8a); label.lft("H_2_O",p10+(-0.5a,-.8a)); p10:=(.9w,.56h); drawdblarrow p10..p10+(0,-a); draw p10+(-0.5a,-0.2a){dir 0}..{dir -90}p10+(0,-.5a); label.lft("H_2_O",p10+(-0.5a,-.2a)); p10:=(.9w,.30h); drawdblarrow p10..p10+(0,-a); drawarrow p10+(-.5a,-.2a){dir 0}..{dir-90}p10+(0,-.5a){dir-90}..{dir180}p10+(-.5a,-.8a); label.lft("NAD^+",p10+(-0.5a,-.2a)); label.lft("NADH2^+",p10+(-0.5a,-.8a)); p10:=(.73w,0.1h); drawarrow p10..p10+(-a,0); drawarrow p10+(-0.05w,0){dir -180}..{dir 90}p10+(-0.08w,0.05h); label.top("CO_2_",p10+(-0.8a,0.53a)); p10:=(.40w,.1h); drawarrow p10..p10+(-a,0); drawarrow p10+(-.2a,0.8a){dir -90}..p10+(-0.5a,0){dir -180}.. {dir 90}p10+(-0.8a,0.5a); label.top("NAD^+^,CoA-SH",p10+(em,0.8a)); label.top("NADH2^+^,CO_2_",p10+(-0.8a-em,0.5a)); p10:=(.10w,.22h); drawdblarrow p10..p10+(0,a); drawdblarrow p10+(.5a,.2a){dir-180}..{dir90}p10+(0,.5a){dir90}..{dir0}p10+(.5a,.8a); label.rt("GDP,Pi",p10+(0.5a,0.2a)); label.rt("GTP,CoA-SH",p10+(0.5a,0.8a)); p10:=(.10w,.5h); drawdblarrow p10..p10+(0,a); drawdblarrow p10+(.5a,.2a){dir-180}..{dir 90}p10+(0,.5a){dir90}..{dir0}p10+(.5a,.8a); label.rt("FAD",p10+(0.5a,0.2a)); label.rt("FADH2",p10+(0.5a,0.8a)); p10:=(.10w,.74h); drawdblarrow p10..p10+(0,a); draw p10+(0.05w,0.2a){dir -180}..{dir 90}p10+(0,.5a); label.rt("H_2_O",p10+(0.5a,0.2a)); p10:=(.25w,.9h); drawdblarrow p10..p10+(a,0); drawdblarrow p10+(.2a,-.5a){dir90}..{dir0}p10+(.5a,0){dir0}..{dir-90}p10+(.8a,-.8a); label.bot("NAD^+",p10+(.2a,-.5a)); label.bot("NADH2^+",p10+(.8a,-.8a)); ) endfont \end{mplibcode} %---------------------------------------------------------------------------- \end{document}